1H-Imidazole-4-carboxaldehyde, 5-chloro-

Base Information

• Chemical Name: 1H-Imidazole-4-carboxaldehyde, 5-chloro-
• CAS No.: 61994-11-4
• Molecular Formula: C₄H₃ClN₂O
• Molecular Weight: 130.534
• DSSTox Substance ID: DTXSID30436833
• Nikkaji Number: J3.207.474J
• Wikidata: Q82252170
• Mol file: 61994-11-4.mol

Synonyms:61994-11-4;5-chloro-1H-imidazole-4-carbaldehyde;4-Chloro-1H-imidazole-5-carbaldehyde;1H-Imidazole-4-carboxaldehyde, 5-chloro-;5-chloro-4-formylimidazole;SCHEMBL2763122;4-Chlorimidazole-5-carbaldehyde;4-chloroimidazole-5-carbaldehyde;DTXSID30436833;AT37869

Chemical Property of 1H-Imidazole-4-carboxaldehyde, 5-chloro-

Chemical Property:

• Melting Point: 199-201 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 381.6±22.0 °C(Predicted)
• PSA: 45.75000
• Density: 1.542±0.06 g/cm3(Predicted)
• LogP: 0.87560
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.9933904
• Heavy Atom Count: 8
• Complexity: 98

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(N1)Cl)C=O